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	hartrees
Energy at 0K	-94.572265
Energy at 298.15K	-94.575179
HF Energy	-94.572265
Nuclear repulsion energy	32.967521

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3562	3410	20.99	77.30	0.67	0.80
2	A'	3404	3259	16.54	332.06	0.25	0.40
3	A'	2929	2804	90.73	147.99	0.54	0.70
4	A'	1684	1613	15.46	18.74	0.61	0.76
5	A'	1452	1390	12.27	10.42	0.20	0.34
6	A'	1380	1321	16.56	7.13	0.18	0.31
7	A'	1070	1024	24.19	9.71	0.35	0.52
8	A"	1156	1107	10.44	0.32	0.75	0.86
9	A"	813	778	146.37	0.31	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.783
N2	0.063	-0.521
H3	-0.999	1.098
H4	-0.757	-1.126
H5	0.942	-1.021

	C1	N2	H3	H4	H5
C1		1.3037	1.1070	2.0776	2.0066
N2	1.3037		1.9356	1.0192	1.0118
H3	1.1070	1.9356		2.2371	2.8732
H4	2.0776	1.0192	2.2371		1.7029
H5	2.0066	1.0118	2.8732	1.7029

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.435		C1	N2	H5	119.601
N2	C1	H3	106.534		H4	N2	H5	113.964

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B3PW91/6-311+G(3df,2p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	-0.053
2	N	-0.394
3	H	0.117
4	H	0.152
5	H	0.178

	x	y	z	Total
	-1.361	-3.259	0.000	3.532
CHELPG
AIM
ESP

	x	y	z
x	3.585	0.100	0.000
y	0.100	4.715	0.000
z	0.000	0.000	2.825

<r²>	19.918
(<r²>)^1/2	4.463

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B3PW91/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)